2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide

C13H14ClN5O — CID 126835800

IUPAC2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(CC2CC2)nn1)c1cccnc1Cl
InChIInChI=1S/C13H14ClN5O/c14-12-11(2-1-5-15-12)13(20)16-6-10-8-19(18-17-10)7-9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20)
InChIKeyFVGIBGUYADIJOH-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.67
Rot. Bonds5

About 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide

2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 126835800) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
PubChem CID126835800
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cn(CC2CC2)nn1)c1cccnc1Cl
InChIInChI=1S/C13H14ClN5O/c14-12-11(2-1-5-15-12)13(20)16-6-10-8-19(18-17-10)7-9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20)
InChIKeyFVGIBGUYADIJOH-UHFFFAOYSA-N
XLogP1.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[(2-methylsulfanylpyridine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457541
2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridine-3-carboxamide
CID 61053293
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-[4-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457376
2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
N-[[1-(oxiran-2-ylmethyl)triazol-4-yl]methyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 142460646
[1-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methylurea
CID 28956509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide (CID 126835800) is 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide is O=C(NCc1cn(CC2CC2)nn1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is FVGIBGUYADIJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-12-11(2-1-5-15-12)13(20)16-6-10-8-19(18-17-10)7-9-3-4-9/h1-2,5,8-9H,3-4,6-7H2,(H,16,20).
What are the key properties of 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide?
2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 126835800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).